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Information card for entry 1552022
Preview
| Coordinates | 1552022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 Br F O S |
|---|---|
| Calculated formula | C19 H14 Br F O S |
| SMILES | Brc1c(c2c(S(=O)c3ccc(cc3)C)cccc2F)cccc1 |
| Title of publication | A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle |
| Authors of publication | Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa |
| Journal of publication | Nature Chemistry |
| Year of publication | 2016 |
| Journal volume | 8 |
| Pages of publication | 860 - 866 |
| a | 11.0067 ± 0.0004 Å |
| b | 11.0733 ± 0.0004 Å |
| c | 13.4281 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1636.62 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0159 |
| Residual factor for significantly intense reflections | 0.0152 |
| Weighted residual factors for significantly intense reflections | 0.0387 |
| Weighted residual factors for all reflections included in the refinement | 0.0389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216831 (current) | 2019-07-08 | cif/ Adding structures of 1552022 via cif-deposit CGI script. |
1552022.cif |
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Users of the data should acknowledge the original authors of the
structural data.